2-(3,4-dichlorophenyl)-2-pyridazin-3-ylacetonitrile

C12H7Cl2N3 — CID 12887947

IUPAC2-(3,4-dichlorophenyl)-2-pyridazin-3-ylacetonitrile
SMILESN#CC(c1ccc(Cl)c(Cl)c1)c1cccnn1
InChIInChI=1S/C12H7Cl2N3/c13-10-4-3-8(6-11(10)14)9(7-15)12-2-1-5-16-17-12/h1-6,9H
InChIKeyYORJEMRFJQBGFN-UHFFFAOYSA-N
MW264.12 g/mol
LogP3.44
Rot. Bonds2

About 2-(3,4-dichlorophenyl)-2-pyridazin-3-ylacetonitrile

2-(3,4-dichlorophenyl)-2-pyridazin-3-ylacetonitrile (PubChem CID 12887947) has the molecular formula C12H7Cl2N3 and a molecular weight of 264.12 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-2-pyridazin-3-ylacetonitrile.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-2-pyridazin-3-ylacetonitrile
PubChem CID12887947
Molecular FormulaC12H7Cl2N3
Molecular Weight264.12 g/mol
Exact Mass263.00
IUPAC Name2-(3,4-dichlorophenyl)-2-pyridazin-3-ylacetonitrile
SMILESN#CC(c1ccc(Cl)c(Cl)c1)c1cccnn1
InChIInChI=1S/C12H7Cl2N3/c13-10-4-3-8(6-11(10)14)9(7-15)12-2-1-5-16-17-12/h1-6,9H
InChIKeyYORJEMRFJQBGFN-UHFFFAOYSA-N
XLogP3.44
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.12
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluorophenyl)-2-pyridazin-3-ylacetonitrile
CID 116833163
2-pyridazin-3-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile
CID 116833129
2-(4-fluoro-3-methylphenyl)-2-pyridazin-3-ylacetonitrile
CID 116833132
2-(1-methylbenzimidazol-5-yl)-2-pyridazin-3-ylacetonitrile
CID 116833204
2-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-pyridazin-3-ylacetonitrile
CID 116833207
2-(4-methoxy-3,5-dimethylphenyl)-2-pyridazin-3-ylacetonitrile
CID 116833228
2-[cyano-(3,4-dichlorophenyl)methyl]benzonitrile
CID 14710954
3-chloro-2-pyridazin-3-ylpropanenitrile
CID 63216468
2-(5-bromo-2-methylphenyl)-2-pyridazin-3-ylacetonitrile
CID 116833214
(2S)-2-amino-2-(3,4-dichlorophenyl)acetonitrile
CID 30082279
(2R)-2-amino-2-(3,4-dichlorophenyl)acetonitrile
CID 30082276
2-(3-chloro-4-fluorophenyl)-2-pyrimidin-4-ylacetonitrile
CID 116833289

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-2-pyridazin-3-ylacetonitrile?
The IUPAC name of 2-(3,4-dichlorophenyl)-2-pyridazin-3-ylacetonitrile (CID 12887947) is 2-(3,4-dichlorophenyl)-2-pyridazin-3-ylacetonitrile.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-2-pyridazin-3-ylacetonitrile?
The canonical SMILES for 2-(3,4-dichlorophenyl)-2-pyridazin-3-ylacetonitrile is N#CC(c1ccc(Cl)c(Cl)c1)c1cccnn1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-2-pyridazin-3-ylacetonitrile?
The InChIKey is YORJEMRFJQBGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3/c13-10-4-3-8(6-11(10)14)9(7-15)12-2-1-5-16-17-12/h1-6,9H.
What are the key properties of 2-(3,4-dichlorophenyl)-2-pyridazin-3-ylacetonitrile?
2-(3,4-dichlorophenyl)-2-pyridazin-3-ylacetonitrile has a molecular weight of 264.12 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-2-pyridazin-3-ylacetonitrile is sourced from PubChem (CID 12887947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).